5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione

C18H20O5 — CID 24808350

IUPAC5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
SMILESCCCc1cc(=O)oc2c3c(cc(O)c12)OC(CCC)CC3=O
InChIInChI=1S/C18H20O5/c1-3-5-10-7-15(21)23-18-16(10)13(20)9-14-17(18)12(19)8-11(22-14)6-4-2/h7,9,11,20H,3-6,8H2,1-2H3
InChIKeyXZKRRPJQIDVYAF-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.59
Rot. Bonds4

About 5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione

5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione (PubChem CID 24808350) has the molecular formula C18H20O5 and a molecular weight of 316.35 g/mol. Its IUPAC name is 5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione.

Molecular Properties

Compound Name5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
PubChem CID24808350
Molecular FormulaC18H20O5
Molecular Weight316.35 g/mol
Exact Mass316.13
IUPAC Name5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione
SMILESCCCc1cc(=O)oc2c3c(cc(O)c12)OC(CCC)CC3=O
InChIInChI=1S/C18H20O5/c1-3-5-10-7-15(21)23-18-16(10)13(20)9-14-17(18)12(19)8-11(22-14)6-4-2/h7,9,11,20H,3-6,8H2,1-2H3
InChIKeyXZKRRPJQIDVYAF-UHFFFAOYSA-N
XLogP3.59
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione?
The IUPAC name of 5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione (CID 24808350) is 5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione.
What is the SMILES notation for 5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione?
The canonical SMILES for 5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione is CCCc1cc(=O)oc2c3c(cc(O)c12)OC(CCC)CC3=O.
What is the InChIKey of 5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione?
The InChIKey is XZKRRPJQIDVYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O5/c1-3-5-10-7-15(21)23-18-16(10)13(20)9-14-17(18)12(19)8-11(22-14)6-4-2/h7,9,11,20H,3-6,8H2,1-2H3.
What are the key properties of 5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione?
5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione has a molecular weight of 316.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4,8-dipropyl-8,9-dihydropyrano[2,3-h]chromene-2,10-dione is sourced from PubChem (CID 24808350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).